Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9UBE0
UPID:
SAE1_HUMAN
Alternative names:
Ubiquitin-like 1-activating enzyme E1A
Alternative UPACC:
Q9UBE0; B2RDP5; B3KMQ2; F5GXX7; G3XAK6; O95717; Q9P020
Background:
SUMO-activating enzyme subunit 1, also known as Ubiquitin-like 1-activating enzyme E1A, plays a pivotal role in the post-translational modification of proteins through the SUMOylation process. This enzyme functions as a heterodimer, activating SUMO proteins (SUMO1, SUMO2, SUMO3, and SUMO4) in an ATP-dependent manner, leading to their conjugation to target proteins via a thioester bond.
Therapeutic significance:
Understanding the role of SUMO-activating enzyme subunit 1 could open doors to potential therapeutic strategies. Its involvement in the SUMOylation process, a critical pathway for protein regulation, suggests its potential as a target for modulating various biological processes and diseases.